(5-Methoxy-2-methylphenyl)boronic acid(contains varying amounts of Anhydride) - ≥97% , CAS No.617689-07-3

CAS: 617689-07-3 Cat. No.: M194220 Peso molecular: 165.98

GRADE & PURITY ≥97%

Synonyms

DTXSID40590733 | 5-Methoxy-2-Methylphenyl Boronic acid | O10130 | AKOS006280039 | 5-Methoxy-2-methyl benzeneboronic acid | MFCD03425973 | 5-Methoxy-2-methylphenylboronic acid | 5-methoxy-2-methyl-phenylboronic acid | AB14734 | A868640 | (5-Methoxy-2-methy

Storage

Store at 2-8°C,Argon charged

Shipped In

Wet ice

Descripción general

(5-Methoxy-2-methylphenyl)boronic Acid is used in preparation of Phenyl-substituted Imidazopyridine Amides useful in the treatment of cardiovascular and other disorders.

Specifications

Sinónimos

DTXSID40590733 | 5-Methoxy-2-Methylphenyl Boronic acid | O10130 | AKOS006280039 | 5-Methoxy-2-methyl benzeneboronic acid | MFCD03425973 | 5-Methoxy-2-methylphenylboronic acid | 5-methoxy-2-methyl-phenylboronic acid | AB14734 | A868640 | (5-Methoxy-2-methy

Especificaciones y pureza

≥97%

Condiciones de almacenamiento de almacenamiento

Store at 2-8°C, Argon charged

Enviado en

Wet ice

Este producto requiere envío en cadena de frío. Los servicios terrestres y otros servicios económicos no están disponibles.

Pureza

≥97%

Nombres e identificadores

• Pubchem Sid: 504768630
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504768630
• Sonrisas canónicas: B(C1=C(C=CC(=C1)OC)C)(O)O
• IUPAC Name: (5-methoxy-2-methylphenyl)boronic acid
• InChIKey: QUQJFILPCCJEGB-UHFFFAOYSA-N
• INCHI: 1S/C8H11BO3/c1-6-3-4-7(12-2)5-8(6)9(10)11/h3-5,10-11H,1-2H3
• Isómeros SMILES: B(C1=C(C=CC(=C1)OC)C)(O)O
• Peso molecular: 165.98
• Reaxy-Rn: 9696903
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=9696903&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Clase Phenol ethers
      • Subclass Anisoles

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Clase: Phenol ethers
• Subclass: Anisoles
• Intermediate Tree Nodes: Not available
• Direct Parent: Anisoles
• Alternative Parents: Phenoxy compounds Methoxybenzenes Toluenes Alkyl aryl ethers Boronic acids Organic metalloid salts Organometalloid compounds Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Phenoxy compound - Methoxybenzene - Anisole - Toluene - Alkyl aryl ether - Monocyclic benzene moiety - Boronic acid - Boronic acid derivative - Organic metalloid salt - Ether - Organic oxygen compound - Hydrocarbon derivative - Organooxygen compound - Organic metalloid moeity - Aromatic homomonocyclic compound
• Descripción: This compound belongs to the class of organic compounds known as anisoles. These are organic compounds containing a methoxybenzene or a derivative thereof.
• External Descriptors: Not available

Data sources

1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61.

DOI: 10.1186/s13321-016-0174-y

Propiedades químicas y físicas

• Peso molecular: 165.980 g/mol
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 2
• Exact Mass: 166.08 Da
• Monoisotopic Mass: 166.08 Da
• Topological Polar Surface Area: 49.700 Ų
• Heavy Atom Count: 12
• Formal Charge: 0
• Complexity: 140.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 0
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 1

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